KEGG   COMPOUND: C15976
Entry
C15976                      Compound                               

Name
2-Methyl-1-hydroxypropyl-ThPP;
2-Methyl-1-hydroxypropyl-TPP
Formula
C16H27N4O8P2S
Exact mass
497.1025
Mol weight
497.4201
Structure
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
Enzyme
Other DBs
PubChem: 47205289
ChEBI: 48522
NIKKAJI: J2.799.841K
KCF data

ATOM        31
            1   N5y N    32.0953  -23.0108 #+
            2   C8y C    32.7359  -21.7704
            3   C8y C    33.0794  -24.0010
            4   C1b C    30.8838  -22.3178
            5   S2x S    34.1103  -21.9974
            6   C1c C    32.1068  -20.5240
            7   C8y C    34.3200  -23.3719
            8   C1a C    32.9220  -25.3812
            9   C8y C    29.6782  -23.0168
            10  C1c C    30.7209  -20.4426
            11  O1a O    32.8756  -19.3593
            12  C1b C    35.5605  -24.0126
            13  C8y C    29.6782  -24.4202
            14  C8x C    28.4552  -22.3236
            15  C1b C    36.7311  -23.2555
            16  N5x N    28.4552  -25.1367
            17  N1a N    30.8838  -25.1191
            18  N5x N    27.2555  -23.0168
            19  O2b O    37.9716  -23.8961
            20  C8y C    27.2555  -24.4202
            21  P1b P    39.1423  -23.1390
            22  C1a C    26.0499  -25.1191
            23  O2c O    40.3826  -23.7796
            24  O1c O    39.5674  -24.5366
            25  P1b P    41.5534  -23.0224
            26  O1c O    42.7880  -23.6574
            27  O1c O    41.9786  -24.4201
            28  O1c O    39.1423  -21.7433
            29  O1c O    41.5534  -21.6268
            30  C1a C    30.0919  -19.1887
            31  C1a C    29.9549  -21.6059
BOND        32
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    9  13 2
            13    9  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 1
            24   23  25 1
            25   25  26 1
            26   25  27 1
            27    5   7 1
            28   18  20 1
            29   21  28 2
            30   25  29 2
            31   10  30 1
            32   10  31 1

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